SCHEMBL1809341

SCHEMBL1809341

[O]c1c(Cl)cc(Cl)c2cccc(S(=O)(=O)O)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.46
SNCA P37840 2/20 0.39
CHAT P28329 1/20 0.39
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
ATIC P31939 2/20 0.36
CDK2 P24941 2/20 0.36
FABP4 P15090 1/20 0.36
CCNA2 P20248 1/20 0.36
MAPK14 Q16539 1/20 0.36
NR4A1 P22736 1/20 0.35
CYP1A2 P05177 5/20 0.34
CYP2D6 P10635 3/20 0.33
TP53 P04637 3/20 0.33
CYP3A4 P08684 3/20 0.33
MAPK1 P28482 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP2C9 P11712 2/20 0.33
THPO P40225 2/20 0.33
PTPN11 Q06124 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1808662 0.85 CA2 (0.46) CDK2CYP2C9TDP1L3MBTL1LMNA
SCHEMBL1809342 0.83 TTR (0.46) TTRSNCACHATAURKAAURKB
SCHEMBL14059358 0.79 TTR (0.47) TTRSNCACHATAURKAAURKB
SCHEMBL1805337 0.78 TTR (0.43) TTRSNCACHATAURKAAURKB
SCHEMBL1805338 0.75 AURKA (0.49) TTRSNCACHATAURKAAURKB
SCHEMBL1805691 0.75 TTR (0.46) TTRSNCACHATATICCDK2
SCHEMBL1810299 0.74 MPL (0.45) TTRSNCAATICCYP1A2CYP2C19
SCHEMBL17212143 0.73 TTR (0.42) TTRSNCACHATAURKAAURKB
SCHEMBL14059289 0.73 TTR (0.42) TTRSNCACHATAURKAAURKB
SCHEMBL23566456 0.72 TTR (0.37) TTRAURKAAURKBCYP1A2CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 US disclosed
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-05-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110123784-A1 WATER-SOLUBLE NEAR-INFRARED ABSORBING COLORING MATTERS AND AQUEOUS INKS CONTAINING SAME IK, RB1, COL1A1 TTR 594/4885SNCA 1203/4885CHAT 2619/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.